SCHEMBL4243679

SCHEMBL4243679

CC[C@@H](C)Oc1ccc(-c2nc(-c3cccc4c3ccn4CCCC(=O)O)no2)cc1C#N.CC[C@H](C)Oc1ccc(-c2nc(-c3cccc4c3ccn4CCCC(=O)O)no2)cc1C#N

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.65
S1PR3 Q99500 10/20 0.60
S1PR5 Q9H228 6/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL403309 1.00 S1PR1 (0.65) S1PR1S1PR3S1PR5
SCHEMBL400581 1.00 S1PR1 (0.65) S1PR1S1PR3S1PR5
SCHEMBL4243677 0.94 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL399437 0.93 S1PR1 (0.74) S1PR1S1PR3S1PR5
SCHEMBL402419 0.93 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL401644 0.92 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL404067 0.92 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL404306 0.89 S1PR1 (0.79) S1PR1S1PR3S1PR5
SCHEMBL398415 0.86 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL402025 0.86 S1PR1 (0.63) S1PR1S1PR3S1PR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed